UHW

4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde

Created: 2021-02-23
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6
2D diagram of UHW

Chemical Component Summary

Name4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
FormulaC12 H16 N2 O3 S
Molecular Weight268.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
SMILESOpenEye OEToolkits2.0.7CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
Canonical SMILESCACTVS3.385 CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
InChIInChI1.03 InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyInChI1.03 YIEAFXUNUVTOQC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 59846222